(E)-2-cyano-N-methyl-3-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-methyl-3-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-N-methyl-3-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-N-methyl-acrylamide Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O/c1-16-7-6-10-18(11-16)21-20(12-19(13-23)22(27)24-2)15-26(25-21)14-17-8-4-3-5-9-17/h3-12,15H,14H2,1-2H3,(H,24,27)/b19-12+